CID 154577508

2418729-38-9

Structural Information

Molecular Formula
C8H11FO3
SMILES
C1CC(=O)CCC1C(C(=O)O)F
InChI
InChI=1S/C8H11FO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h5,7H,1-4H2,(H,11,12)
InChIKey
UPOYVRHXCLMYMA-UHFFFAOYSA-N
Compound name
2-fluoro-2-(4-oxocyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06923 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07651 134.5
[M+Na]+ 197.05845 139.8
[M-H]- 173.06195 134.9
[M+NH4]+ 192.10305 153.7
[M+K]+ 213.03239 138.8
[M+H-H2O]+ 157.06649 128.6
[M+HCOO]- 219.06743 151.5
[M+CH3COO]- 233.08308 176.7
[M+Na-2H]- 195.04390 136.1
[M]+ 174.06868 128.8
[M]- 174.06978 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.